2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

C7H14O6 — CID 2108

IUPAC2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
SMILESCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
InChIKeyHOVAGTYPODGVJG-UHFFFAOYSA-N
MW194.18 g/mol
LogP-2.57
Rot. Bonds2

About 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 2108) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
PubChem CID2108
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
SMILESCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
InChIKeyHOVAGTYPODGVJG-UHFFFAOYSA-N
XLogP-2.57
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Sucrose
CID 5988
Lactitol
CID 157355
D-Fructose
CID 2723872
D-Xylose
CID 135191
D-Glucose
CID 5793
D-Galactose
CID 6036
Trehalose
CID 7427
Lactulose
CID 11333
D-Tagatose
CID 439312
Hexose
CID 206
Beta-D-Glucose
CID 64689
alpha-D-lactose
CID 84571

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (CID 2108) is 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is COC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is HOVAGTYPODGVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol has a molecular weight of 194.18 g/mol, XLogP of -2.57, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 2108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).